Name: Name:Carbamic acid,[(1S)-3-chloro-2-oxo-1-[[4-(phenylmethoxy)phenyl]methyl]propyl]-,1,1-dimethylethyl ester
Brand: Angene
SKU: AG00HY1P
Rating: 90 (10 reviews)

Carbamic acid,[(1S)-3-chloro-2-oxo-1-[[4-(phenylmethoxy)phenyl]methyl]propyl]-,1,1-dimethylethyl ester

CAS No.:

152438-62-5

Catalog Number:

AG00HY1P

Molecular Formula:

C22H26ClNO4

Molecular Weight:

403.8991

Catalog Number:

AG00HY1P

Chemical Name:

Carbamic acid,[(1S)-3-chloro-2-oxo-1-[[4-(phenylmethoxy)phenyl]methyl]propyl]-,1,1-dimethylethyl ester

CAS Number:

152438-62-5

Molecular Formula:

C22H26ClNO4

Molecular Weight:

403.8991

MDL Number:

MFCD28023844

IUPAC Name:

tert-butyl N-[(2S)-4-chloro-3-oxo-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamate

InChI:

InChI=1S/C22H26ClNO4/c1-22(2,3)28-21(26)24-19(20(25)14-23)13-16-9-11-18(12-10-16)27-15-17-7-5-4-6-8-17/h4-12,19H,13-15H2,1-3H3,(H,24,26)/t19-/m0/s1

InChI Key:

ZQCWGEVCMARRSG-IBGZPJMESA-N

SMILES:

ClCC(=O)[C@H](Cc1ccc(cc1)OCc1ccccc1)NC(=O)OC(C)(C)C

Complexity:

491

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

403.155g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

403.903g/mol

Monoisotopic Mass:

403.155g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.8